#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spp s ARG 2 N 0.00 3.69 -0.02 0.00 3.52 -1.26 -1.34 118.95 123.54 1spp s ARG 2 Ca 0.00 0.17 -0.15 0.00 -0.13 0.00 0.00 55.73 55.62 1spp s ARG 2 Cb 0.00 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1spp s ARG 2 CO 0.00 -0.82 0.40 0.42 -0.81 0.00 0.00 175.30 174.49 1spp s ILE 3 N 2.93 5.07 -0.49 4.11 1.09 0.79 -4.96 121.20 129.74 1spp s ILE 3 Ca 0.28 0.81 -0.21 0.00 -1.10 0.00 0.00 60.65 60.44 1spp s ILE 3 Cb -0.14 -3.70 0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1spp s ILE 3 CO 0.16 0.56 0.69 0.21 -0.10 0.00 0.00 174.94 176.46 1spp s ASN 4 N -0.92 6.29 0.05 3.58 2.47 -1.26 -1.81 114.94 123.33 1spp s ASN 4 Ca 0.23 -0.56 -0.09 0.00 0.42 0.00 0.00 52.86 52.86 1spp s ASN 4 Cb -0.16 -2.33 -0.02 0.00 -1.45 0.00 0.00 41.25 37.29 1spp s ASN 4 CO 0.12 -0.91 0.78 0.61 -3.72 0.00 0.00 177.10 173.99 1spp n GLY 5 N 5.10 -1.79 0.41 1.21 0.00 0.10 -1.82 105.19 108.40 1spp n GLY 5 Ca -0.03 0.54 0.21 0.00 0.00 0.00 0.00 46.02 46.74 1spp n GLY 5 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1spp h PRO 6 N 0.00 0.33 0.00 1.61 0.11 -1.79 -1.55 132.00 130.72 1spp h PRO 6 Ca 0.05 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1spp h PRO 6 Cb 0.12 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1spp h PRO 6 CO -0.27 0.22 -0.38 -0.44 -0.21 0.00 0.00 178.00 176.92 1spp h ASP 7 N 0.34 0.00 -0.54 -2.05 3.32 -1.77 -3.27 116.42 112.46 1spp h ASP 7 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1spp h ASP 7 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1spp h ASP 7 CO -0.16 0.38 0.00 -0.62 -1.72 0.00 0.00 179.24 177.13 1spp n GLU 8 N -3.54 2.66 -1.70 3.56 4.71 -0.59 -5.01 120.64 120.73 1spp n GLU 8 Ca -0.00 -2.36 -0.43 0.00 -0.01 0.00 0.00 57.16 54.36 1spp n GLU 8 Cb 0.51 -1.45 -0.01 0.00 -1.01 0.00 0.00 31.44 29.48 1spp n GLU 8 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1spp n GLY 10 N 0.89 0.59 3.82 0.00 0.00 0.11 -4.89 105.19 105.71 1spp n GLY 10 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1spp n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1spp s ARG 11 N -0.37 2.63 -0.21 1.61 0.52 -0.79 -4.99 118.95 117.35 1spp s ARG 11 Ca 0.00 -1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 53.77 1spp s ARG 11 Cb 0.00 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1spp s ARG 11 CO 0.00 0.11 0.08 0.14 0.02 0.00 0.00 175.30 175.65 1spp s VAL 12 N -2.33 4.74 -0.08 3.52 -7.23 -1.26 -2.61 120.40 115.14 1spp s VAL 12 Ca 0.40 -0.04 -0.19 0.00 -1.81 0.00 0.00 61.98 60.34 1spp s VAL 12 Cb -0.05 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 1spp s VAL 12 CO 0.25 0.40 0.50 -0.63 -0.31 0.00 0.00 175.10 175.32 1spp s ILE 13 N 0.86 5.11 -1.18 -0.62 1.09 0.10 -4.95 121.20 121.61 1spp s ILE 13 Ca 0.04 1.02 0.10 0.00 -1.10 0.00 0.00 60.65 60.72 1spp s ILE 13 Cb -0.14 -3.84 0.15 0.00 -1.06 0.00 0.00 42.46 37.58 1spp s ILE 13 CO 0.03 0.37 0.97 0.29 -0.10 0.00 0.00 174.94 176.50 1spp n LYS 14 N 3.30 1.29 -1.92 2.79 5.02 -1.26 -0.60 118.16 126.79 1spp n LYS 14 Ca -0.07 -1.44 -0.41 0.00 -2.02 0.00 0.00 58.31 54.37 1spp n LYS 14 Cb 0.52 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 1spp n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1spp s ASP 15 N -0.93 6.53 0.54 4.39 1.01 -1.26 -4.88 116.67 122.07 1spp s ASP 15 Ca 0.16 2.83 0.28 0.00 0.71 0.00 0.00 52.55 56.53 1spp s ASP 15 Cb 0.10 -2.64 1.53 0.00 1.01 0.00 0.00 42.92 42.92 1spp s ASP 15 CO 0.14 -0.77 2.10 0.71 0.21 0.00 0.00 175.17 177.56 1spp h THR 16 N 3.31 0.52 -2.77 -1.27 1.35 -1.96 -3.44 112.91 108.65 1spp h THR 16 Ca -0.48 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1spp h THR 16 Cb 1.22 1.29 -0.13 0.00 -1.73 0.00 0.00 68.15 68.80 1spp h THR 16 CO 0.74 0.09 0.27 -0.94 -0.25 0.00 0.00 175.52 175.42 1spp s SER 17 N -6.11 -0.54 0.00 5.36 1.04 -1.26 -1.45 113.70 110.75 1spp s SER 17 Ca -0.03 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1spp s SER 17 Cb 0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1spp s SER 17 CO 0.57 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1spp n GLY 18 N -0.24 -0.77 3.21 7.32 0.00 -0.92 -2.09 105.19 111.71 1spp n GLY 18 Ca -0.16 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1spp n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1spp s SER 19 N -4.00 -0.21 -0.17 1.61 1.04 -0.45 -2.14 113.70 109.38 1spp s SER 19 Ca 0.00 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.68 1spp s SER 19 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1spp s SER 19 CO 0.00 -0.32 -0.17 -0.63 0.98 0.00 0.00 173.24 173.09 1spp s ILE 20 N -0.82 2.38 -0.22 -1.02 1.01 0.27 -0.15 121.20 122.66 1spp s ILE 20 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 1spp s ILE 20 Cb -0.04 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1spp s ILE 20 CO 0.03 0.52 0.12 -0.55 0.00 0.00 0.00 174.94 175.06 1spp s SER 21 N 1.06 5.98 0.10 3.58 0.15 -0.75 -1.10 113.70 122.72 1spp s SER 21 Ca -0.01 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.62 1spp s SER 21 Cb -0.14 -2.06 -0.11 0.00 -1.71 0.00 0.00 66.02 61.99 1spp s SER 21 CO -0.05 0.12 1.37 -1.13 1.20 0.00 0.00 173.24 174.74 1spp h ASN 22 N 7.13 0.82 -3.95 5.45 -1.24 -1.25 0.28 115.58 122.82 1spp h ASN 22 Ca -0.39 -0.54 0.05 0.00 0.71 0.00 0.00 56.30 56.13 1spp h ASN 22 Cb 1.16 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.95 1spp h ASN 22 CO 0.69 1.20 -0.16 0.41 -1.29 0.00 0.00 177.43 178.29 1spp n THR 23 N -4.15 -0.10 -0.44 -3.57 -1.04 -1.26 -4.28 114.28 99.44 1spp n THR 23 Ca -0.05 0.11 0.06 0.00 -2.04 0.00 0.00 64.05 62.13 1spp n THR 23 Cb 0.57 -0.18 0.31 0.00 -1.82 0.00 0.00 70.33 69.22 1spp n THR 23 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1spp n ASP 24 N -2.38 4.60 -2.76 8.00 5.75 -1.26 -3.83 116.55 124.66 1spp n ASP 24 Ca -0.01 -2.67 -0.02 0.00 -0.01 0.00 0.00 54.79 52.08 1spp n ASP 24 Cb 0.09 -0.63 0.05 0.00 -1.03 0.00 0.00 41.12 39.60 1spp n ASP 24 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1spp n ARG 25 N 0.56 1.90 -2.38 0.11 0.00 -1.26 -1.62 116.66 113.97 1spp n ARG 25 Ca 0.22 -3.57 -0.31 0.00 -0.00 0.00 0.00 57.85 54.18 1spp n ARG 25 Cb 0.95 -1.67 -0.02 0.00 0.00 0.00 0.00 32.46 31.72 1spp n ARG 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1spp s GLN 26 N -3.79 3.84 1.03 -0.14 2.00 -1.26 -4.91 119.66 116.44 1spp s GLN 26 Ca 0.29 0.81 -0.13 0.00 -2.00 0.00 0.00 55.36 54.32 1spp s GLN 26 Cb 0.33 -2.18 0.20 0.00 0.80 0.00 0.00 33.01 32.17 1spp s GLN 26 CO -0.03 -0.28 1.10 0.15 -0.50 0.00 0.00 175.29 175.72 1spp s LYS 27 N -4.27 0.18 0.50 1.67 1.02 -1.26 -4.75 119.74 112.83 1spp s LYS 27 Ca 0.56 0.38 0.29 0.00 0.02 0.00 0.00 55.97 57.22 1spp s LYS 27 Cb -0.10 -1.72 0.97 0.00 -0.52 0.00 0.00 37.83 36.46 1spp s LYS 27 CO 0.36 -2.87 1.84 -0.91 -0.92 0.00 0.00 175.35 172.85 1spp h ASN 28 N -1.99 0.00 -3.52 2.83 4.21 -1.92 -3.42 115.58 111.78 1spp h ASN 28 Ca -0.53 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 56.73 1spp h ASN 28 Cb 1.33 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 38.22 1spp h ASN 28 CO 0.55 0.02 -0.63 -0.22 -1.29 0.00 0.00 177.43 175.86 1spp s LEU 29 N -6.22 0.98 -0.17 1.61 2.96 -1.26 -0.33 118.68 116.25 1spp s LEU 29 Ca 0.03 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.06 1spp s LEU 29 Cb 0.08 0.27 0.05 0.00 0.50 0.00 0.00 46.19 47.09 1spp s LEU 29 CO 0.59 -0.12 0.41 0.00 -1.32 0.00 0.00 176.35 175.92 1spp s THR 31 N 1.12 0.95 -0.03 0.00 2.01 -1.26 0.10 115.64 118.53 1spp s THR 31 Ca -0.07 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1spp s THR 31 Cb -0.07 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1spp s THR 31 CO -0.10 0.12 -0.03 0.26 -0.69 0.00 0.00 174.62 174.19 1spp s TRP 32 N -0.55 0.55 -0.16 4.92 0.51 -0.47 0.08 118.94 123.82 1spp s TRP 32 Ca 0.03 -0.11 0.01 0.00 -2.12 0.00 0.00 56.10 53.90 1spp s TRP 32 Cb -0.06 -0.51 0.00 0.00 -0.81 0.00 0.00 33.47 32.09 1spp s TRP 32 CO 0.00 -0.13 -0.16 -0.08 -0.51 0.00 0.00 176.95 176.06 1spp s THR 33 N 0.75 2.52 -0.19 2.01 -1.32 -1.07 -1.09 115.64 117.25 1spp s THR 33 Ca -0.09 -0.81 -0.13 0.00 -1.21 0.00 0.00 61.69 59.44 1spp s THR 33 Cb -0.12 -2.06 -0.05 0.00 -1.51 0.00 0.00 72.50 68.76 1spp s THR 33 CO -0.00 0.52 0.28 -0.63 -2.21 0.00 0.00 174.62 172.57 1spp s ILE 34 N 0.91 5.30 -0.17 5.08 1.01 0.66 0.02 121.20 134.00 1spp s ILE 34 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1spp s ILE 34 Cb -0.15 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1spp s ILE 34 CO -0.02 0.34 -0.16 -0.22 0.00 0.00 0.00 174.94 174.88 1spp s LEU 35 N 0.83 2.37 0.40 2.97 0.20 0.23 -1.73 118.68 123.96 1spp s LEU 35 Ca 0.15 -0.54 0.07 0.00 0.69 0.00 0.00 54.13 54.50 1spp s LEU 35 Cb -0.13 -1.55 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 1spp s LEU 35 CO 0.05 0.03 0.16 -0.04 -0.29 0.00 0.00 176.35 176.26 1spp s MET 36 N 1.11 2.21 0.51 1.98 -1.94 0.23 -4.39 119.30 119.00 1spp s MET 36 Ca 0.00 -1.83 -0.22 0.00 -1.71 0.00 0.00 55.69 51.92 1spp s MET 36 Cb -0.14 -1.97 -0.07 0.00 2.01 0.00 0.00 34.83 34.66 1spp s MET 36 CO -0.06 -0.08 1.25 1.63 -0.01 0.00 0.00 175.02 177.76 1spp n LYS 37 N -1.20 1.63 0.24 2.03 5.02 -1.26 -4.83 118.16 119.79 1spp n LYS 37 Ca -0.02 0.59 0.15 0.00 -2.02 0.00 0.00 58.31 57.02 1spp n LYS 37 Cb 0.64 -2.43 0.64 0.00 -0.02 0.00 0.00 35.03 33.86 1spp n LYS 37 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1spp h PRO 38 N 1.50 0.00 -0.06 1.97 0.13 -1.98 0.54 132.00 134.09 1spp h PRO 38 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1spp h PRO 38 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1spp h PRO 38 CO 0.57 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 1spp n ASP 39 N -3.04 1.63 -4.65 1.44 5.75 -1.26 -4.70 116.55 111.72 1spp n ASP 39 Ca 0.02 -1.58 -0.24 0.00 -0.01 0.00 0.00 54.79 52.99 1spp n ASP 39 Cb 0.62 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 1spp n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1spp s GLN 40 N -1.94 2.19 0.18 0.11 -0.21 0.18 -4.55 119.66 115.63 1spp s GLN 40 Ca 0.36 -1.62 0.11 0.00 0.02 0.00 0.00 55.36 54.23 1spp s GLN 40 Cb 0.20 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 1spp s GLN 40 CO 0.31 0.19 -0.23 0.15 -2.12 0.00 0.00 175.29 173.60 1spp s LYS 41 N -3.73 1.45 -0.16 2.91 1.02 -0.61 -2.54 119.74 118.08 1spp s LYS 41 Ca 0.35 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 1spp s LYS 41 Cb -0.02 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.52 1spp s LYS 41 CO 0.20 0.37 0.19 0.08 -0.92 0.00 0.00 175.35 175.27 1spp s VAL 42 N -1.74 5.39 -0.11 3.17 1.01 -1.24 -0.24 120.40 126.63 1spp s VAL 42 Ca 0.19 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1spp s VAL 42 Cb -0.07 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1spp s VAL 42 CO 0.09 0.47 -0.08 -0.13 0.00 0.00 0.00 175.10 175.45 1spp s ARG 43 N 0.01 3.23 0.02 2.72 0.52 -0.29 -2.17 118.95 122.99 1spp s ARG 43 Ca 0.12 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1spp s ARG 43 Cb -0.12 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 1spp s ARG 43 CO 0.02 0.39 -0.08 1.41 0.02 0.00 0.00 175.30 177.06 1spp s MET 44 N -0.08 0.54 -0.04 3.54 1.75 -0.41 -1.73 119.30 122.87 1spp s MET 44 Ca 0.00 -0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 1spp s MET 44 Cb -0.13 -0.43 0.02 0.00 2.84 0.00 0.00 34.83 37.13 1spp s MET 44 CO 0.03 0.10 0.22 0.00 -0.65 0.00 0.00 175.02 174.72 1spp s ALA 45 N -0.80 -0.55 -0.23 4.11 0.00 -0.55 -0.84 121.76 122.91 1spp s ALA 45 Ca -0.04 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1spp s ALA 45 Cb -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1spp s ALA 45 CO 0.00 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 175.89 1spp s ILE 46 N -0.79 1.89 0.31 0.00 1.01 0.43 -0.83 121.20 123.22 1spp s ILE 46 Ca -0.09 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.25 1spp s ILE 46 Cb -0.05 -1.99 0.20 0.00 0.01 0.00 0.00 42.46 40.63 1spp s ILE 46 CO 0.02 0.07 1.91 1.55 0.00 0.00 0.00 174.94 178.49 1spp h PRO 47 N 7.88 0.82 -2.28 2.79 0.13 -1.85 -1.45 132.00 138.03 1spp h PRO 47 Ca -0.24 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1spp h PRO 47 Cb 1.07 -0.15 -0.24 0.00 0.13 0.00 0.00 31.00 31.81 1spp h PRO 47 CO 0.47 0.65 -0.26 -0.47 -0.23 0.00 0.00 178.00 178.17 1spp s TYR 48 N -5.43 -1.04 -0.10 1.56 5.04 -1.26 -2.22 117.35 113.90 1spp s TYR 48 Ca -0.10 1.88 0.02 0.00 -2.44 0.00 0.00 57.07 56.44 1spp s TYR 48 Cb 0.16 0.53 0.01 0.00 0.35 0.00 0.00 41.96 43.01 1spp s TYR 48 CO 0.78 -0.56 -0.16 -1.17 -1.34 0.00 0.00 175.55 173.10 1spp s LEU 49 N 2.68 1.79 -0.43 6.97 2.96 0.65 -4.70 118.68 128.61 1spp s LEU 49 Ca -0.04 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1spp s LEU 49 Cb -0.12 -1.10 0.17 0.00 0.50 0.00 0.00 46.19 45.64 1spp s LEU 49 CO -0.16 0.05 0.43 0.21 -1.32 0.00 0.00 176.35 175.56 1spp s ASN 50 N 0.78 0.76 0.33 3.68 2.47 -1.25 -0.08 114.94 121.63 1spp s ASN 50 Ca -0.11 -2.61 -0.03 0.00 0.42 0.00 0.00 52.86 50.52 1spp s ASN 50 Cb -0.16 0.20 -0.04 0.00 -1.45 0.00 0.00 41.25 39.80 1spp s ASN 50 CO 0.02 -0.15 0.58 -0.76 -3.72 0.00 0.00 177.10 173.06 1spp s LEU 51 N 0.39 4.00 -0.97 3.21 1.43 0.16 -4.92 118.68 121.97 1spp s LEU 51 Ca 0.31 0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 53.83 1spp s LEU 51 Cb 0.01 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1spp s LEU 51 CO -0.14 -0.27 1.76 0.00 0.23 0.00 0.00 176.35 177.93 1spp s ALA 52 N -2.22 2.10 0.44 4.21 0.00 -1.26 -4.82 121.76 120.21 1spp s ALA 52 Ca 0.43 -1.86 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 1spp s ALA 52 Cb -0.10 -4.56 -0.10 0.00 0.00 0.00 0.00 23.12 18.36 1spp s ALA 52 CO 0.33 -4.36 1.03 0.00 0.00 0.00 0.00 175.76 172.76 1spp n GLY 54 N 1.16 2.99 0.31 0.00 0.00 -1.26 -4.71 105.19 103.67 1spp n GLY 54 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1spp n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1spp n LYS 55 N -0.44 0.31 -4.47 1.61 -0.00 -0.54 -4.88 118.16 109.75 1spp n LYS 55 Ca 0.00 0.10 -0.26 0.00 -0.00 0.00 0.00 58.31 58.16 1spp n LYS 55 Cb 0.00 -1.13 -0.10 0.00 -0.00 0.00 0.00 35.03 33.80 1spp n LYS 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1spp s GLU 56 N -2.26 1.93 -0.10 -1.58 2.02 -0.43 0.27 118.70 118.54 1spp s GLU 56 Ca -0.19 -1.88 -0.30 0.00 0.02 0.00 0.00 54.97 52.63 1spp s GLU 56 Cb 0.06 -1.79 0.12 0.00 0.10 0.00 0.00 34.13 32.62 1spp s GLU 56 CO 0.27 0.12 0.98 1.52 0.02 0.00 0.00 175.26 178.18 1spp s TYR 57 N -2.58 -0.33 -0.00 1.61 -0.85 -0.92 -4.47 117.35 109.81 1spp s TYR 57 Ca 0.34 0.39 0.07 0.00 -0.52 0.00 0.00 57.07 57.35 1spp s TYR 57 Cb 0.02 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1spp s TYR 57 CO 0.18 -0.41 -0.21 0.08 -1.52 0.00 0.00 175.55 173.67 1spp s VAL 58 N -2.08 1.66 -0.00 -3.49 1.01 -0.17 -2.10 120.40 115.23 1spp s VAL 58 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1spp s VAL 58 Cb -0.01 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1spp s VAL 58 CO -0.04 0.42 -0.08 -0.70 0.00 0.00 0.00 175.10 174.71 1spp s GLU 59 N -0.63 0.63 -0.05 2.72 2.12 -0.45 0.64 118.70 123.68 1spp s GLU 59 Ca 0.08 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1spp s GLU 59 Cb -0.08 -0.61 -0.02 0.00 0.26 0.00 0.00 34.13 33.68 1spp s GLU 59 CO -0.00 0.17 -0.18 0.08 -0.54 0.00 0.00 175.26 174.78 1spp s VAL 60 N -0.22 2.70 -0.05 3.70 1.01 -1.23 -0.55 120.40 125.77 1spp s VAL 60 Ca 0.03 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1spp s VAL 60 Cb -0.03 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1spp s VAL 60 CO -0.00 0.58 -0.24 -0.36 0.00 0.00 0.00 175.10 175.08 1spp s PHE 61 N -0.50 2.45 -0.89 5.22 0.40 0.10 -0.20 117.98 124.56 1spp s PHE 61 Ca 0.06 -0.57 -0.22 0.00 -0.60 0.00 0.00 56.93 55.60 1spp s PHE 61 Cb -0.12 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 41.91 1spp s PHE 61 CO 0.01 -0.12 1.24 0.34 0.70 0.00 0.00 175.22 177.40 1spp s ASP 62 N -0.35 6.44 0.00 1.36 2.15 0.13 -1.78 116.67 124.62 1spp s ASP 62 Ca 0.02 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1spp s ASP 62 Cb -0.12 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1spp s ASP 62 CO 0.02 -1.41 0.00 0.61 -0.17 0.00 0.00 175.17 174.22 1spp n GLY 63 N 5.98 0.15 1.98 2.66 0.00 -1.09 -3.54 105.19 111.34 1spp n GLY 63 Ca 0.20 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 1spp n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1spp n LEU 64 N 0.00 0.00 0.31 0.99 4.32 -1.26 -1.72 117.00 119.64 1spp n LEU 64 Ca 0.00 -0.90 0.20 0.00 -0.02 0.00 0.00 56.01 55.30 1spp n LEU 64 Cb 0.00 -0.44 1.09 0.00 -1.62 0.00 0.00 43.42 42.45 1spp n LEU 64 CO 0.00 -0.88 1.12 -0.07 -1.22 0.00 0.00 177.39 176.34 1spp h LEU 65 N 0.00 0.00 -1.00 2.23 3.38 -1.94 0.19 115.31 118.18 1spp h LEU 65 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1spp h LEU 65 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1spp h LEU 65 CO 0.17 0.00 -0.11 -1.54 0.09 0.00 0.00 178.44 177.05 1spp n SER 66 N -2.92 1.66 -4.88 -0.43 3.41 -1.26 -4.94 113.62 104.25 1spp n SER 66 Ca -0.03 -1.42 -0.29 0.00 -0.26 0.00 0.00 58.87 56.87 1spp n SER 66 Cb 0.08 0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.19 1spp n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1spp s GLY 67 N -2.17 1.60 0.27 5.00 0.00 0.67 -4.98 107.32 107.72 1spp s GLY 67 Ca 0.31 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 1spp s GLY 67 CO 0.40 -0.06 1.51 -1.05 0.00 0.00 0.00 173.10 173.90 1spp n PRO 68 N -3.26 2.42 -3.16 2.90 -0.02 -1.23 -4.52 135.00 128.13 1spp n PRO 68 Ca 0.07 0.86 -0.39 0.00 -2.02 0.00 0.00 63.50 62.03 1spp n PRO 68 Cb 0.59 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 1spp n PRO 68 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1spp s SER 69 N 0.40 7.15 0.00 2.55 0.15 -1.26 0.20 113.70 122.89 1spp s SER 69 Ca 0.66 1.37 0.27 0.00 0.70 0.00 0.00 55.95 58.94 1spp s SER 69 Cb -0.56 -2.41 0.91 0.00 -1.71 0.00 0.00 66.02 62.26 1spp s SER 69 CO 0.49 0.21 1.68 -1.22 1.20 0.00 0.00 173.24 175.61 1spp n TYR 70 N 1.92 0.00 0.00 3.44 4.01 0.72 -4.94 117.16 122.32 1spp n TYR 70 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1spp n TYR 70 Cb 0.50 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1spp n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1spp n GLY 71 N 1.43 2.77 3.78 2.72 0.00 -1.26 -4.93 105.19 109.70 1spp n GLY 71 Ca 0.09 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 1spp n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1spp s LYS 72 N -3.34 4.49 0.15 1.61 1.02 -1.26 -3.56 119.74 118.85 1spp s LYS 72 Ca 0.00 1.07 0.03 0.00 0.02 0.00 0.00 55.97 57.09 1spp s LYS 72 Cb 0.00 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1spp s LYS 72 CO 0.00 0.52 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.38 1spp s LEU 73 N -0.92 2.41 0.00 3.17 1.02 0.21 -4.92 118.68 119.65 1spp s LEU 73 Ca 0.35 -1.06 0.00 0.00 0.02 0.00 0.00 54.13 53.44 1spp s LEU 73 Cb -0.22 -0.20 0.00 0.00 0.02 0.00 0.00 46.19 45.79 1spp s LEU 73 CO 0.24 -0.44 0.00 0.00 0.02 0.00 0.00 176.35 176.18 1spp s ALA 75 N -0.02 -1.03 0.00 0.00 0.00 -1.26 0.35 121.76 119.80 1spp s ALA 75 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1spp s ALA 75 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1spp s ALA 75 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1spp n GLY 76 N 0.49 0.93 2.86 0.00 0.00 0.89 -4.90 105.19 105.46 1spp n GLY 76 Ca -0.18 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1spp n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spp s ALA 77 N -1.95 0.01 -1.40 4.61 0.00 -1.26 -0.25 121.76 121.51 1spp s ALA 77 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1spp s ALA 77 Cb 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1spp s ALA 77 CO 0.00 -0.01 0.81 0.00 0.00 0.00 0.00 175.76 176.56 1spp n ALA 78 N 3.17 -1.72 -2.57 0.00 0.00 -0.94 -4.91 120.51 113.54 1spp n ALA 78 Ca -0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1spp n ALA 78 Cb 0.59 -3.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 1spp n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1spp s ILE 79 N -3.53 4.52 0.09 0.00 1.01 -0.56 -4.89 121.20 117.85 1spp s ILE 79 Ca 0.27 1.83 0.08 0.00 0.00 0.00 0.00 60.65 62.83 1spp s ILE 79 Cb -0.14 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1spp s ILE 79 CO 0.82 -0.07 -0.21 -0.69 0.00 0.00 0.00 174.94 174.79 1spp s VAL 80 N 2.66 1.71 -0.01 2.92 1.01 -1.26 -0.43 120.40 126.99 1spp s VAL 80 Ca 0.50 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1spp s VAL 80 Cb -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1spp s VAL 80 CO 0.15 -0.00 0.08 -0.36 0.00 0.00 0.00 175.10 174.97 1spp s PHE 81 N -1.08 0.02 -0.08 5.22 0.08 -0.02 -4.99 117.98 117.14 1spp s PHE 81 Ca 0.07 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1spp s PHE 81 Cb -0.10 -0.04 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 1spp s PHE 81 CO 0.04 -0.16 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.78 1spp s LEU 82 N -0.76 1.09 0.74 -0.37 2.96 -1.26 -1.29 118.68 119.79 1spp s LEU 82 Ca -0.08 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 1spp s LEU 82 Cb -0.05 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 46.07 1spp s LEU 82 CO 0.00 -0.11 1.12 -0.94 -1.32 0.00 0.00 176.35 175.11 1spp s SER 83 N 1.45 5.11 0.12 3.68 1.04 -0.92 -4.99 113.70 119.19 1spp s SER 83 Ca -0.02 0.99 0.22 0.00 0.48 0.00 0.00 55.95 57.63 1spp s SER 83 Cb -0.13 -1.68 -0.09 0.00 0.10 0.00 0.00 66.02 64.22 1spp s SER 83 CO -0.04 -1.54 0.88 0.35 0.98 0.00 0.00 173.24 173.88 1spp n THR 84 N -3.11 0.40 -3.45 2.02 -2.24 -1.26 -4.61 114.28 102.03 1spp n THR 84 Ca 0.07 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1spp n THR 84 Cb 0.59 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1spp n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1spp n ALA 85 N -2.16 0.00 0.50 6.98 0.00 -1.26 -4.98 120.51 119.59 1spp n ALA 85 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1spp n ALA 85 Cb 0.54 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.13 1spp n ALA 85 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1spp n ASN 86 N -0.81 2.40 -3.98 0.00 6.94 -1.05 -3.73 115.26 115.02 1spp n ASN 86 Ca 0.00 -2.26 -0.15 0.00 -0.02 0.00 0.00 54.58 52.15 1spp n ASN 86 Cb 0.00 -0.50 -0.13 0.00 -2.36 0.00 0.00 39.78 36.79 1spp n ASN 86 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1spp s THR 87 N -1.61 0.42 -0.12 5.53 -1.32 -1.26 -0.60 115.64 116.68 1spp s THR 87 Ca 0.18 -0.46 -0.09 0.00 -1.21 0.00 0.00 61.69 60.11 1spp s THR 87 Cb 0.13 -0.41 0.04 0.00 -1.51 0.00 0.00 72.50 70.76 1spp s THR 87 CO 0.06 -0.04 0.31 -0.32 -2.21 0.00 0.00 174.62 172.42 1spp s MET 88 N -0.55 0.32 -0.03 7.08 1.75 -0.70 -2.65 119.30 124.52 1spp s MET 88 Ca -0.02 0.51 0.07 0.00 -1.25 0.00 0.00 55.69 55.00 1spp s MET 88 Cb -0.04 0.07 -0.02 0.00 2.84 0.00 0.00 34.83 37.67 1spp s MET 88 CO -0.00 -0.09 -0.23 0.99 -0.65 0.00 0.00 175.02 175.03 1spp s THR 89 N 0.63 2.27 -0.07 10.11 2.01 -0.70 -0.25 115.64 129.65 1spp s THR 89 Ca -0.04 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 60.98 1spp s THR 89 Cb -0.05 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1spp s THR 89 CO -0.04 0.58 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.63 1spp s ILE 90 N -0.59 1.80 -0.13 1.82 1.01 -0.25 0.02 121.20 124.88 1spp s ILE 90 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1spp s ILE 90 Cb -0.11 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1spp s ILE 90 CO -0.00 0.50 -0.12 -0.75 0.00 0.00 0.00 174.94 174.57 1spp s LYS 91 N 0.14 2.03 -0.20 2.79 2.20 0.29 -1.37 119.74 125.62 1spp s LYS 91 Ca -0.10 -0.46 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1spp s LYS 91 Cb -0.15 -1.89 -0.05 0.00 -1.51 0.00 0.00 37.83 34.24 1spp s LYS 91 CO 0.05 -0.21 0.11 -0.47 -0.36 0.00 0.00 175.35 174.47 1spp s TYR 92 N 1.44 3.32 -0.02 4.03 5.04 0.11 -1.35 117.35 129.93 1spp s TYR 92 Ca 0.02 0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.85 1spp s TYR 92 Cb -0.13 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.04 1spp s TYR 92 CO -0.08 0.18 -0.03 1.21 -1.34 0.00 0.00 175.55 175.49 1spp s ASN 93 N 0.53 0.56 -0.12 4.32 3.04 -0.89 -1.12 114.94 121.25 1spp s ASN 93 Ca 0.06 -0.07 -0.00 0.00 0.04 0.00 0.00 52.86 52.89 1spp s ASN 93 Cb -0.12 -0.21 0.02 0.00 -1.54 0.00 0.00 41.25 39.40 1spp s ASN 93 CO 0.00 -0.03 -0.10 -0.60 -3.04 0.00 0.00 177.10 173.33 1spp s ARG 94 N 0.56 1.81 -0.53 0.43 3.52 0.55 -2.15 118.95 123.14 1spp s ARG 94 Ca -0.06 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 54.89 1spp s ARG 94 Cb -0.09 -1.77 0.03 0.00 -1.56 0.00 0.00 34.95 31.56 1spp s ARG 94 CO -0.01 -0.24 1.13 0.42 -0.81 0.00 0.00 175.30 175.79 1spp s ILE 95 N 1.59 4.15 0.57 4.11 1.01 0.14 -4.80 121.20 127.97 1spp s ILE 95 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.66 1spp s ILE 95 Cb -0.13 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.70 1spp s ILE 95 CO -0.09 -1.17 0.00 -1.54 0.00 0.00 0.00 174.94 172.15 1spp n SER 96 N 8.05 -8.99 0.00 3.58 3.41 -1.26 -4.79 113.62 113.62 1spp n SER 96 Ca 0.09 1.43 0.00 0.00 -0.26 0.00 0.00 58.87 60.13 1spp n SER 96 Cb 0.49 -5.17 0.00 0.00 -0.26 0.00 0.00 64.21 59.27 1spp n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spp n GLY 97 N -1.21 3.15 0.00 5.00 0.00 -1.26 -4.98 105.19 105.89 1spp n GLY 97 Ca 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 1spp n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1spp n ASN 98 N 0.00 4.07 -4.92 1.61 4.13 -1.26 -4.97 115.26 113.92 1spp n ASN 98 Ca 0.00 -0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1spp n ASN 98 Cb 0.00 0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1spp n ASN 98 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1spp s SER 99 N -3.94 6.34 0.17 6.41 0.15 -1.26 -4.68 113.70 116.89 1spp s SER 99 Ca -0.00 0.67 0.10 0.00 0.70 0.00 0.00 55.95 57.41 1spp s SER 99 Cb 0.00 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1spp s SER 99 CO 0.01 -0.34 -0.21 -0.55 1.20 0.00 0.00 173.24 173.34 1spp s SER 100 N -3.75 3.00 -0.19 5.45 0.15 -0.64 -4.89 113.70 112.83 1spp s SER 100 Ca 0.43 -0.83 -0.21 0.00 0.70 0.00 0.00 55.95 56.04 1spp s SER 100 Cb -0.10 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1spp s SER 100 CO 0.36 0.05 0.65 -0.44 1.20 0.00 0.00 173.24 175.07 1spp s SER 101 N -2.52 6.72 0.51 5.45 0.01 -1.26 -4.16 113.70 118.45 1spp s SER 101 Ca 0.16 0.88 -0.19 0.00 1.31 0.00 0.00 55.95 58.11 1spp s SER 101 Cb -0.07 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1spp s SER 101 CO 0.08 -0.28 1.05 -2.16 0.41 0.00 0.00 173.24 172.33 1spp s PRO 102 N 1.88 3.69 -0.02 12.44 0.04 -1.25 -4.67 135.00 147.12 1spp s PRO 102 Ca 0.30 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1spp s PRO 102 Cb -0.16 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.40 1spp s PRO 102 CO 0.11 -0.52 0.86 -0.59 0.04 0.00 0.00 177.00 176.90 1spp s PHE 103 N -2.07 -0.40 0.10 0.56 -0.12 -1.26 -4.82 117.98 109.98 1spp s PHE 103 Ca 0.67 0.37 0.07 0.00 -0.05 0.00 0.00 56.93 57.99 1spp s PHE 103 Cb -0.17 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1spp s PHE 103 CO 0.23 -0.55 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.25 1spp s LEU 104 N -2.16 3.03 -0.11 -1.99 1.43 -1.26 -0.70 118.68 116.92 1spp s LEU 104 Ca 0.02 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1spp s LEU 104 Cb -0.01 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1spp s LEU 104 CO -0.06 0.18 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1spp s ILE 105 N -1.20 1.02 0.08 -0.59 1.01 -0.26 -4.31 121.20 116.96 1spp s ILE 105 Ca 0.21 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1spp s ILE 105 Cb -0.11 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1spp s ILE 105 CO 0.13 0.37 0.16 -0.31 0.00 0.00 0.00 174.94 175.29 1spp s TYR 106 N 1.68 3.37 0.06 3.97 2.02 -0.01 -0.57 117.35 127.88 1spp s TYR 106 Ca 0.05 0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.72 1spp s TYR 106 Cb -0.13 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1spp s TYR 106 CO -0.08 0.55 0.44 -0.59 -1.57 0.00 0.00 175.55 174.30 1spp s PHE 107 N -1.49 -0.29 0.02 2.71 -0.71 -0.91 -1.48 117.98 115.83 1spp s PHE 107 Ca 0.33 0.22 -0.28 0.00 -1.04 0.00 0.00 56.93 56.16 1spp s PHE 107 Cb -0.12 0.26 0.10 0.00 -1.21 0.00 0.00 43.02 42.04 1spp s PHE 107 CO 0.25 -0.62 0.83 1.52 -1.34 0.00 0.00 175.22 175.87 1spp s TYR 108 N -2.74 -0.39 -0.04 3.49 -0.85 -0.70 -2.16 117.35 113.96 1spp s TYR 108 Ca -0.04 0.28 -0.24 0.00 -0.52 0.00 0.00 57.07 56.55 1spp s TYR 108 Cb -0.00 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1spp s TYR 108 CO -0.04 -0.60 0.72 0.20 -1.52 0.00 0.00 175.55 174.31 1spp s GLY 109 N -2.44 2.67 -0.38 5.49 0.00 -0.52 -1.14 107.32 111.00 1spp s GLY 109 Ca 0.03 0.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.88 1spp s GLY 109 CO -0.09 1.15 0.16 -0.45 0.00 0.00 0.00 173.10 173.87 1spp s SER 110 N 0.55 5.29 -0.36 1.64 0.15 0.67 -4.94 113.70 116.70 1spp s SER 110 Ca 0.38 -1.57 -0.13 0.00 0.70 0.00 0.00 55.95 55.33 1spp s SER 110 Cb -0.18 -1.85 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1spp s SER 110 CO 0.19 -0.44 0.25 -0.94 1.20 0.00 0.00 173.24 173.50 1spp s SER 111 N 1.71 6.03 0.00 5.45 1.04 -1.26 -1.58 113.70 125.08 1spp s SER 111 Ca 0.02 -0.60 0.24 0.00 0.48 0.00 0.00 55.95 56.09 1spp s SER 111 Cb -0.22 -2.13 1.42 0.00 0.10 0.00 0.00 66.02 65.20 1spp s SER 111 CO -0.01 -0.30 1.79 -0.81 0.98 0.00 0.00 173.24 174.89